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189301-41-5 | 2-Propanol, 1,3-bis[[(7R,11R)-3,7,11,15-tetramethylhexadecyl]oxy]-
CAS No: 189301-41-5 Catalog No: AG002I8F MDL No:
Product Description
Catalog Number:
AG002I8F
Chemical Name:
2-Propanol, 1,3-bis[[(7R,11R)-3,7,11,15-tetramethylhexadecyl]oxy]-
CAS Number:
189301-41-5
Molecular Formula:
C43H88O3
Molecular Weight:
653.1570
IUPAC Name:
1,3-bis[(7R,11R)-3,7,11,15-tetramethylhexadecoxy]propan-2-ol
InChI:
InChI=1S/C43H88O3/c1-35(2)17-11-19-37(5)21-13-23-39(7)25-15-27-41(9)29-31-45-33-43(44)34-46-32-30-42(10)28-16-26-40(8)24-14-22-38(6)20-12-18-36(3)4/h35-44H,11-34H2,1-10H3/t37-,38-,39-,40-,41?,42?,43?/m1/s1
InChI Key:
IUIJIMKVPABOGF-RZYBXOIBSA-N
SMILES:
OC(COCCC(CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C)COCCC(CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C
Properties
Complexity:
567
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
652.673g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
653.174g/mol
Monoisotopic Mass:
652.673g/mol
Rotatable Bond Count:
34
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
17.2
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